4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine

C15H15F3N4O — CID 6413225

IUPAC4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine
SMILESCc1nnc(-c2cccc(C(F)(F)F)c2)nc1N1CCOCC1
InChIInChI=1S/C15H15F3N4O/c1-10-14(22-5-7-23-8-6-22)19-13(21-20-10)11-3-2-4-12(9-11)15(16,17)18/h2-4,9H,5-8H2,1H3
InChIKeyUMMNVDVTZLPRRW-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.70
Rot. Bonds2

About 4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine

4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine (PubChem CID 6413225) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine
PubChem CID6413225
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine
SMILESCc1nnc(-c2cccc(C(F)(F)F)c2)nc1N1CCOCC1
InChIInChI=1S/C15H15F3N4O/c1-10-14(22-5-7-23-8-6-22)19-13(21-20-10)11-3-2-4-12(9-11)15(16,17)18/h2-4,9H,5-8H2,1H3
InChIKeyUMMNVDVTZLPRRW-UHFFFAOYSA-N
XLogP2.70
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5,6-Diphenyl-1,2,4-triazin-3-yl)morpholine
CID 2842253
N,N,6-trimethyl-3-phenyl-1,2,4-triazin-5-amine
CID 6404618
3-Phenyl-5-(1-pyrrolidinyl)-6-(trifluoromethyl)-1,2,4-triazine
CID 6413293
6-(2,6-Dimethylmorpholin-4-yl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354627
2-Methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
CID 121426321
3-Morpholin-4-yl-5-phenyl-[1,2,4]triazine
CID 6401689
5-Morpholino-6-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine
CID 6404702
N~1~,N~1~-dimethyl-N~2~-[3-phenyl-6-(trifluoromethyl)-1,2,4-triazin-5-yl]-1,2-ethanediamine
CID 6413148
5-(1-Methylhydrazino)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine
CID 6413486
5-(2,6-Dimethylmorpholino)-3,6-diphenyl-1,2,4-triazine
CID 6415168
5-(2,6-Dimethylmorpholino)-6-methyl-3-(4-methylphenyl)-1,2,4-triazine
CID 6415899
1-Ethyl-3-morpholino-5-phenyl-1,2,4-triazin-1-ium iodide
CID 6400920

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine?
The IUPAC name of 4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine (CID 6413225) is 4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine.
What is the SMILES notation for 4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine?
The canonical SMILES for 4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine is Cc1nnc(-c2cccc(C(F)(F)F)c2)nc1N1CCOCC1.
What is the InChIKey of 4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine?
The InChIKey is UMMNVDVTZLPRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-10-14(22-5-7-23-8-6-22)19-13(21-20-10)11-3-2-4-12(9-11)15(16,17)18/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine?
4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine has a molecular weight of 324.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]morpholine is sourced from PubChem (CID 6413225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).